(NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine

C8H8N6O — CID 137251911

IUPAC(NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cc(-c2nn[nH]n2)ccn1
InChIInChI=1S/C8H8N6O/c1-5(12-15)7-4-6(2-3-9-7)8-10-13-14-11-8/h2-4,15H,1H3,(H,10,11,13,14)/b12-5+
InChIKeyFYXLUJJAIZXONK-LFYBBSHMSA-N
MW204.19 g/mol
LogP0.46
Rot. Bonds2

About (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine (PubChem CID 137251911) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine
PubChem CID137251911
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name(NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cc(-c2nn[nH]n2)ccn1
InChIInChI=1S/C8H8N6O/c1-5(12-15)7-4-6(2-3-9-7)8-10-13-14-11-8/h2-4,15H,1H3,(H,10,11,13,14)/b12-5+
InChIKeyFYXLUJJAIZXONK-LFYBBSHMSA-N
XLogP0.46
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine (CID 137251911) is (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine is C/C(=N\O)c1cc(-c2nn[nH]n2)ccn1.
What is the InChIKey of (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine?
The InChIKey is FYXLUJJAIZXONK-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H8N6O/c1-5(12-15)7-4-6(2-3-9-7)8-10-13-14-11-8/h2-4,15H,1H3,(H,10,11,13,14)/b12-5+.
What are the key properties of (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 204.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 137251911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).